58
Complex_5b: ADF Energy = -7980.934277242387 kcal/mol
C -2.5667 2.0267 3.1229
H -0.8852 -1.7659 -0.6309
H 4.2334 1.0803 4.0046
C 2.7917 4.1653 3.7319
H -3.6342 0.1274 3.1068
H -1.514 -1.2272 3.2536
H 4.8317 3.5122 4.1279
Pt 1.5635 -0.666 3.4222
C 1.7928 -0.5725 1.3196
C 1.2032 2.3506 3.4718
H -0.3431 -4.0949 0.1274
H 0.0775 -0.2757 -0.8761
C -0.2689 -1.0049 -0.1218
H 2.2518 -1.5429 -1.1896
H -0.9021 -0.4789 0.6113
H 1.2774 -3.0395 -1.1248
H 2.6993 -2.8569 -0.0522
C 1.4808 3.7276 3.5031
C -2.6663 0.626 3.1461
N 2.2085 1.4192 3.645
C -1.4978 -0.1389 3.2265
C 0.9571 -1.6653 0.5742
H -3.46 2.648 3.0531
C 3.477 1.8513 3.885
C 3.8012 3.2133 3.9368
C 1.8534 -2.3217 -0.5155
H 1.4669 0.4464 1.0405
N -0.2692 0.4453 3.282
H 3.0159 5.232199999999999 3.7552
H 2.87 -0.6795 1.1219
C -0.1581 1.8154 3.2974
C -1.304 2.6256 3.2091
C 0.6851 -2.4594 2.9672
C 0.263 -3.4024 3.924
C -0.3958 -4.5781 3.5134
C -0.6176 -4.8214 2.1448
C -0.1752 -3.891 1.1883
C 0.4818 -2.707 1.5854
H 0.444 -3.2161 4.9846
H -0.7316 -5.3008 4.2618
H -1.1269 -5.7331 1.8231
H 0.6879 4.4574 3.3515
H -1.2202 3.7106 3.2219
C 3.28 -1.8687 3.5088
Br 5.0994 -0.9693000000000001 2.6878
Br 0.9802999999999999 -0.6102 6.0621
H 3.1756 -2.6533 2.7491
H 4.7084 -4.2298 8.1783
H 3.9399 -5.6012 6.2293
C 3.6931 -2.4767 4.8173
C 4.1336 -1.714 5.9223
C 4.5047 -2.3412 7.1204
C 4.4272 -3.7432 7.2418
C 3.9927 -4.513 6.1495
C 3.64 -3.8851 4.9412
H 4.1956 -0.6286 5.8448
H 4.8475 -1.7399 7.9657
H 3.3169 -4.4897 4.0904
#===END


58
TS-G*: ADF Energy = -7954.765246892656 kcal/mol
C -3.0149 2.3494 3.4055
H -1.5833 -2.6119 -0.1232
H 3.4484 0.1174 4.3826
C 2.6386 3.4324 4.098
H -4.422 0.6872 3.5647
H -2.5803 -1.0187 3.8587
H 4.4998 2.3925 4.5121
Pt 0.5364 -0.9867 3.7595
C 0.8545 -0.8016 1.6676
C 0.7286 1.9729 3.7921
H -0.5921999999999999 -4.5045 0.2579
H -1.1729 -0.8834 -0.2159
C -1.1808 -1.76 0.4509
H 1.2261 -1.409 -0.9244
H -1.8575 -1.57 1.2975
H 0.7291 -3.127 -0.9295
H 2.169 -2.6224 0.0112
C 1.2713 3.2621 3.845
C -3.3806 1.0016 3.5617
N 1.5242 0.8614000000000001 3.988300000000001
C -2.3792 0.0394 3.7072
C 0.2772 -2.0432 0.9328
H -3.7713 3.1156 3.2528
C 2.8541 1.0171 4.2501
C 3.4325 2.2978 4.3089
C 1.1625 -2.3205 -0.3128
H 0.3273 0.1173 1.3703
N -1.0721 0.3933 3.6968
H 3.0632 4.4368 4.1361
H 1.9398 -0.7173 1.5179
C -0.703 1.7094 3.6211
C -1.664 2.7118 3.4519
C 0.7912 -3.2877 3.1959
C 0.5158 -4.4358 3.9926
C 0.0058 -5.5982 3.4364
C -0.3673 -5.6264 2.0732
C -0.2655 -4.4651 1.3006
C 0.2901 -3.2792 1.8284
H 0.8572 -4.3979 5.0232
H -0.0533 -6.498200000000001 4.0437
H -0.7504999999999999 -6.5454 1.6238
H 0.6258 4.1281 3.7141
H -1.3599 3.751 3.3553
C 1.9866 -2.4262 3.7132
Br 4.5617 -0.8188 2.1185
Br -0.8081 -1.9283 5.9499
H 2.7214 -2.3467 2.9215
H 4.5257 -4.0229 8.277699999999999
H 5.0138 -5.0544 6.0477
C 2.677 -2.736 5.0512
C 2.4756 -2.1065 6.3053
C 3.1473 -2.571 7.4556
C 4.0394 -3.6476 7.3747
C 4.3095 -4.223 6.1239
C 3.654 -3.7477 4.984
H 1.7851 -1.2717 6.4234
H 2.9642 -2.13 8.4435
H 3.8629 -4.1706 3.9993
#===END


57
Intermediate_I: ADF Energy = -7816.787821711512 kcal/mol
C -2.4454 2.3373 2.8677
H -0.7693 -1.5836 -0.7826
H 4.0084 0.3368 4.4008
C 3.118 3.6059 3.9692
H -3.7756 0.6248 2.663
H -1.9173 -1.0433 3.0168
H 4.9992 2.6346 4.4784
Pt 1.1526 -0.9468 3.6303
C 1.7325 -0.8389 1.5729
C 1.265 2.0795 3.6425
H -0.6258 -4.0035 -0.0885
H 0.397 -0.2245 -0.8006
C -0.1454 -0.931 -0.1477
H 2.413 -1.7678 -0.8865
H -0.8104 -0.3582 0.5191
H 1.2466 -3.1093 -1.0512
H 2.5099 -3.1837 0.2138
C 1.7689 3.3896 3.6615
C -2.7561 0.968 2.8344
N 2.0836 1.0054 3.9245
C -1.7353 0.0306 3.0285
C 0.8714 -1.7798 0.6698
H -3.2194 3.0885 2.7099
C 3.3978 1.217 4.2112
C 3.942899999999999 2.5055 4.2474
C 1.8209 -2.5108 -0.324
H 1.6023 0.2229 1.3021
N -0.4496 0.4226 3.2485
H 3.5181 4.6198 3.9811
H 2.8019 -1.0988 1.5317
C -0.1362 1.7614 3.321200000000001
C -1.1264 2.7372 3.1218
C 0.1263 -2.6098 2.9543
C -0.5413 -3.5241 3.7895
C -1.2555 -4.5976 3.2202
C -1.2884 -4.762 1.8237
C -0.6014 -3.8589 0.9944
C 0.1227 -2.7807 1.5475
H -0.5163 -3.3984 4.8734
H -1.7766 -5.3027 3.8709
H -1.8416 -5.593899999999999 1.3821
H 1.1236 4.2351 3.4311
H -0.8827 3.7963 3.1814
C 2.6321 -2.2299 3.9365
H 4.6256 -3.9641 3.8799
Br 0.1761 -0.9157999999999999 6.1188
H 2.7374 -2.9906 3.1478
H 6.418400000000001 -2.8583 7.6457
H 6.4204 -4.258 5.5776
C 3.6061 -2.3552 4.9662
C 3.6202 -1.5671 6.1675
C 4.6229 -1.7577 7.1166
C 5.635 -2.7197 6.8982
C 5.6397 -3.5123 5.7308
C 4.6371 -3.345 4.7794
H 2.819500000000001 -0.8499 6.3508
H 4.6286 -1.1687 8.035
#===END

57
Intermediate-H: ADF Energy = -7828.513464977346 kcal/mol
C -1.8593 3.6786 2.9595
H -1.3587 -2.7131 -0.1235
H 3.7688 -0.2051 4.1199
C 3.8965 3.1702 3.6486
H -3.6823 2.5606 3.3502
H -2.4319 0.4664 3.9882
H 5.4104 1.6785 4.1115
Pt 0.672 -0.4873 3.7277
C 0.8041 -0.5981 1.6055
C 1.6417 2.2881 3.4586
H -0.2853000000000001 -4.4342 0.1602
H -1.2411 -0.9432 -0.1062
C -1.0691 -1.852 0.495
H 1.1956 -0.9952999999999999 -0.9425
H -1.7221 -1.8325 1.3815
H 1.0231 -2.773 -1.029
H 2.3854 -2.0564 -0.114
C 2.5269 3.3763 3.440900000000001
C -2.594 2.5471 3.339
N 2.1226 1.0063 3.6656
C -1.9132 1.3768 3.6944
C 0.4285 -1.929 0.9145
H -2.3654 4.5927 2.6485
C 3.4512 0.8097000000000001 3.9017
C 4.3596 1.8725 3.902
C 1.3233 -1.9355 -0.3806
H 0.1183 0.2094 1.3031
N -0.5543 1.3167 3.6798
H 4.582799999999999 4.0163 3.6355
H 1.8461 -0.2983 1.4261
C 0.1805 2.4371 3.357
C -0.458 3.6282 2.9833
C 1.3724 -3.3164 2.944
C 1.4623 -4.5571 3.613
C 0.9271 -5.728 3.0585
C 0.3104 -5.6738 1.8
C 0.2048 -4.4426 1.1333
C 0.6944 -3.2423 1.6948
H 1.9704 -4.6035 4.5777
H 0.995 -6.6725 3.6009
H -0.0951 -6.5782 1.3395
H 2.1444 4.3846 3.3001
H 0.1207 4.5037 2.6976
C 2.0392 -2.0975 3.5415
H 4.6464 -2.7389 3.7517
Br -1.2408 -1.9986 4.2845
H 2.7606 -1.7209 2.7936
H 4.979300000000001 -2.7872 8.061199999999999
H 6.0214 -3.0432 5.8045
C 2.808 -2.316 4.8284
C 2.2208 -2.2058 6.1059
C 3.0038 -2.3663 7.2649
C 4.3725 -2.6671 7.1612
C 4.9608 -2.8025 5.8915
C 4.1858 -2.6221 4.736000000000001
H 1.1515 -2.0046 6.2019
H 2.5447 -2.2549 8.2483
#===END

57
TS-J*: ADF Energy = -7806.771514432841 kcal/mol
C -2.2629 2.8268 2.8904
H -1.0739 -1.93 -0.5691000000000001
H 3.9286 0.1135 4.3524
C 3.4296 3.4498 3.8609
H -3.8155 1.3045 2.9168
H -2.1846 -0.5646 3.3157
H 5.1939 2.2661 4.3378
Pt 1.0133 -0.8847 3.5968
C 1.4695 -0.6854 1.525
C 1.4001 2.1478 3.591
H -0.438 -4.1869 -0.0385
H -0.3011 -0.3215 -0.6413
C -0.5532 -1.1619 0.0237
H 2.066 -1.437 -1.0213
H -1.2499 -0.8076 0.7979000000000001
H 1.2016 -2.9933 -1.0983
H 2.5595 -2.7895 0.0375
C 2.0594 3.3902 3.5794
C -2.75 1.516 2.9972
N 2.0833 0.9943 3.8945
C -1.8503 0.4635 3.2116
C 0.7173 -1.7688 0.6805
H -2.9359 3.6621 2.6952
C 3.4228 1.0532 4.1482
C 4.1228 2.2621 4.1386
C 1.6946 -2.2819 -0.4185
H 1.1427 0.3339 1.2582
N -0.51 0.6804 3.3266
H 3.9501 4.4079 3.8556
H 2.5637 -0.7527 1.4165
C -0.0333 1.9756 3.3049
C -0.8937 3.0593 3.0626
C 0.3286 -2.7758 2.9841
C 0.0683 -3.8901 3.8181
C -0.4562 -5.0746 3.2587
C -0.6915 -5.150500000000001 1.8758
C -0.3007 -4.0929 1.0395
C 0.2591 -2.9157 1.5761
H 0.2614 -3.8529 4.8894
H -0.6843 -5.9263 3.9005
H -1.1636 -6.0374 1.442
H 1.5209 4.3071 3.3488
H -0.5077 4.076 3.024
C 2.5288 -2.1387 3.7667
H 4.7166 -3.5992 3.7486
Br -0.3224 -1.1816 5.922799999999999
H 2.8649 -2.6428 2.851
H 5.8836 -2.8218 7.8304
H 6.3497 -3.8721 5.6121
C 3.3349 -2.371 4.9047
C 3.0759 -1.7905 6.1909
C 3.9866 -1.9613 7.2314
C 5.1691 -2.7039 7.014999999999999
C 5.4362 -3.3013 5.7672
C 4.5269 -3.1521 4.7218
H 2.1589 -1.2231 6.3504
H 3.7919 -1.5151 8.206099999999999
#===END

58
Complex_5a:  ADF Energy =  -7979.39 kcal/mol
C      -1.94811610       3.32022500       4.04660254
H      -0.10962688      -5.14422629       2.35214700
H       3.83456995      -0.47251870       4.46766459
C       3.37319018       2.44080741       6.17415225
H      -3.49641047       2.29624270       2.90664298
H      -2.01159473       0.34712483       2.37592893
H       4.99323713       0.98580557       6.13448593
Pt       0.99185246      -0.48529598       2.87785238
C      -0.40180165      -1.66229669       1.81982019
C       1.51402278       1.89453346       4.71426438
H       1.93283668      -5.03440417       0.66037801
H      -1.58092754      -4.13362766       2.52131947
C      -0.47719002      -4.12572329       2.56639785
H      -1.50009758      -3.42691836       0.06308771
H      -0.16461384      -3.83929447       3.58289871
H      -0.15554430      -4.58484430      -0.10899461
H       0.04757117      -2.88979485      -0.66270321
C       2.10434130       2.74483528       5.66345299
C      -2.47019208       2.27310192       3.27232264
N       2.17051130       0.76847603       4.26960616
C      -1.65052557       1.18224972       2.96896716
C       0.09476468      -3.11736712       1.52672382
H      -2.55817572       4.19020222       4.29005082
C       3.38328022       0.45711991       4.79836814
C       4.01726967       1.27245965       5.74382187
C      -0.40179978      -3.53207930       0.11137889
H      -1.30307930      -1.68937304       2.45650727
N      -0.36490315       1.10423274       3.41044293
H       3.83947745       3.09721870       6.90904353
H      -0.62792347      -1.14041153       0.87779022
C       0.14697094       2.10673972       4.19914034
C      -0.63274566       3.23194746       4.51728592
C       2.23688468      -1.99671189       2.24630171
C       3.64634822      -1.93873397       2.28346630
C       4.43207778      -2.99816448       1.78709090
C       3.81070118      -4.12507835       1.22207117
C       2.40800439      -4.16969918       1.13028702
C       1.61571849      -3.11250289       1.62069627
H       4.16164303      -1.05715448       2.66532930
H       5.52192220      -2.93449646       1.83571671
H       4.41154316      -4.95319797       0.83877784
H       1.57840162       3.62721003       6.01961981
H      -0.22337342       4.03528462       5.12449466
C       1.71257148       0.50998859       1.14370560
Br       2.22760769       2.55264994       1.51230430
H      -0.63151388       1.89706071       0.57451901
H       2.71443660       0.11184145       0.94790008
H      -1.30638125       0.18412785      -3.33847002
H      -2.03031271       1.68545443      -1.47208129
C       0.87366777       0.48416207      -0.09341595
C       1.28180976      -0.35026240      -1.15823222
C       0.49896380      -0.45864662      -2.32026424
C      -0.69946590       0.26491518      -2.43451695
C      -1.10697502       1.10878958      -1.38297746
C      -0.32539786       1.22034183      -0.22460721
H       2.20894937      -0.92117147      -1.07142460
H       0.83009485      -1.10303453      -3.13709451
Br       0.28414472      -1.67013853       5.16597466
#===END

57
Intermediate_K: ADF Energy = -7805.594306535661 kcal/mol
C -2.1545 2.979099999999999 4.6672
H -0.3404 -5.3761 2.201
H 3.7539 -0.538 4.5151
C 3.6238 2.832 5.0151
H -3.8582 1.708 4.1887
H -2.4175 -0.2067 3.4751
H 5.2279 1.3721 5.181
Pt 0.7095 -0.7612 3.1101
C -0.7533 -1.8822 2.0685
C 1.4751 1.887 4.4175
H 1.5561 -5.0009 0.3203
H -1.815 -4.442499999999999 2.5994
C -0.7133 -4.4003 2.5541
H -1.9367 -3.4205 0.1961
H -0.3207 -4.2226 3.566
H -0.6206 -4.5572 -0.1756
H -0.4264 -2.8212 -0.5629
C 2.2542 2.9993 4.7723
C -2.7735 1.8045 4.2135
N 2.0552 0.6477000000000001 4.2483
C -1.9767 0.7299 3.8084
C -0.2472 -3.2752 1.5837
H -2.7512 3.8256 5.0068
C 3.3674 0.4757 4.5585
C 4.179 1.5474 4.9477
C -0.8396 -3.5342 0.1694
H -1.6027 -1.9852 2.7613
N -0.6158 0.8034 3.8245
H 4.2408 3.692 5.2732
H -1.0427 -1.2606 1.2083
C 0.004 1.941 4.2877
C -0.7561 3.0415 4.7161
C 1.9344 -2.2427 2.3285
C 3.3407 -2.2082 2.3666
C 4.1024 -3.1926 1.705
C 3.4539 -4.1963 0.9671999999999999
C 2.049 -4.223 0.9074
C 1.2775 -3.252 1.5785
H 3.881 -1.4219 2.8879
H 5.1937 -3.1607 1.7576
H 4.0373 -4.9495 0.4338
H 1.8078 3.9877 4.8561
H -0.2699 3.9256 5.1224
C 1.3188 0.2704 1.5244
H -1.3858 0.8939 1.2857
Br 0.2475 -2.0589 5.3062
H 2.4001 0.1531 1.3513
H -0.8366 3.6355 -1.9933
H -2.3401 2.4252 -0.4151
C 0.6903 1.1851 0.6478
C 1.5382 1.8962 -0.2751
C 0.9912 2.7819 -1.198
C -0.4067 2.9609 -1.2511
C -1.2611 2.2769 -0.3545
C -0.7258 1.4118 0.5946
H 2.6178 1.7379 -0.2387
H 1.6398 3.3274 -1.8835
#===END

57
Intermediate_M: ADF Energy = -7821.39248671658 kcal/mol
C -1.9614 3.2268 3.619
H 1.8812 -3.8951 2.3662
H 3.5647 -0.8996 4.0724
C 3.7203 2.4545 4.7117
H -3.7309 2.0822 3.069
H -2.4725 -0.06610000000000001 2.8789
H 5.214200000000001 0.8712 4.7456
Pt 0.4229 -0.9192 3.1745
C -1.0639 -2.1258 2.3335
C 1.5045 1.7237 4.069
H -0.1178 -4.8511 -0.4365
H 0.7692 -3.7303 3.7978
C 1.0418 -3.3319 2.8134
H -1.3084 -4.7717 2.9061
H 1.646 -2.3356 2.9906
H -0.2617 -5.4769 1.6511
H -1.7777 -4.6328 1.1912
C 2.3716 2.7524 4.4664
C -2.659 2.067 3.2565
N 1.9637 0.435 3.9268
C -1.9702 0.8589 3.1411
C -0.1738 -3.2742 1.822
H -2.4782 4.1828 3.7021
C 3.2665 0.1412 4.1788
C 4.1735 1.1351 4.565
C -0.9215 -4.6256 1.8855
H -1.7452 -2.4392 3.1387
N -0.6303 0.8001 3.3706
H 4.4051 3.2469 5.0136
H -1.596 -1.6078 1.524
C 0.07530000000000001 1.9165 3.7769
C -0.5919 3.1437 3.8949
C 0.949 -1.6522 0.1641
C 1.4868 -1.3945 -1.1203
C 1.4563 -2.3573 -2.1378
C 0.8633 -3.6037 -1.885
C 0.332 -3.8761 -0.6153
C 0.3716 -2.9225 0.4265
H 1.929 -0.4167 -1.3213
H 1.8921 -2.1365 -3.114
H 0.8087 -4.3623 -2.6673
H 2.0137 3.7726 4.5814
H -0.0489 4.0318 4.2091
C 1.1059 -0.4924 1.1523
H -1.2854 -0.1134 -0.1449
Br -0.2646 -1.5126 5.664100000000001
H 2.180699999999999 -0.349 1.3621
H -1.0344 4.1772 -0.5812999999999999
H -2.293 2.0359 -0.8797
C 0.5164 0.7952 0.6546999999999999
C 1.2226 2.0108 0.8113
C 0.6687 3.2219 0.3649
C -0.6038 3.2376 -0.2313
C -1.3102 2.0323 -0.4041
C -0.7501 0.8218 0.0259
H 2.217699999999999 2.0069 1.2631
H 1.2337 4.1505 0.4679
#===END

57
TS-L*: ADF Energy = -7782.146157551694 kcal/mol
C -2.1067 3.1 4.289
H 0.4277000000000001 -5.1274 2.6082
H 3.681 -0.6863 4.301
C 3.6627 2.6807 4.9043
H -3.8401 1.8824 3.7676
H -2.4512 -0.1435 3.2977
H 5.2239 1.1728 5.0254
Pt 0.6087 -0.8043 3.0695
C -0.9607 -1.9346 2.19
C 1.4818 1.8198 4.2978
H 0.9198 -4.9174 0.0126
H -1.0433 -4.5525 3.4707
C -0.1268 -4.237200000000001 2.9469
H -2.414 -4.0968 1.0098
H 0.5155999999999999 -3.7069 3.6611
H -0.9936 -5.0195 0.5208
H -1.348 -3.4622 -0.2754
C 2.2992 2.8991 4.6654
C -2.7572 1.9285 3.8755
N 2.0204 0.5648 4.1079
C -1.9945 0.7891 3.6111
C -0.4205 -3.3066 1.7261
H -2.679 3.9971 4.5256
C 3.3316 0.3402 4.3942
C 4.1778 1.3801 4.8034
C -1.3635 -3.9964 0.6898
H -1.7633 -2.0482 2.9378
N -0.6413 0.7941 3.7376
H 4.306 3.5162 5.1806
H -1.3483 -1.3587 1.336
C 0.0172 1.9337 4.1365
C -0.7112000000000001 3.1008 4.4217
C 1.7611 -2.0153 1.6099
C 3.0891 -1.8855 1.0844
C 3.6098 -2.8246 0.1722
C 2.8332 -3.9322 -0.2075
C 1.5153 -4.045 0.2708
C 0.9536 -3.0809 1.1186
H 3.7409 -1.0468 1.3426
H 4.6111 -2.6859 -0.2498
H 3.2303 -4.7126 -0.8593
H 1.887 3.9006 4.7654
H -0.205 3.998899999999999 4.7668
C 1.2409 0.1082 1.442
H -1.5156 0.3851000000000001 0.8052
Br 0.0877 -1.8415 5.4706
H 2.3161 0.2912 1.458
H -0.8573 3.9512 -1.5298
H -2.4112 2.2517 -0.5434
C 0.5723 1.001 0.5624
C 1.4396 1.9938 0.012
C 0.9281 3.0617 -0.7108
C -0.4601 3.1359 -0.9273
C -1.3364 2.171 -0.3796
C -0.8343 1.1122 0.3723
H 2.5098 1.9144 0.2069
H 1.6055 3.8185 -1.1057
#===END

58
Complex_3: ADF Energy =  -8007.54 kcal/mol
C      -2.34402299       3.13104088       0.81476789
H       1.16497370      -4.90940305       6.13250376
H       0.74913077       0.05715705       6.19561784
C      -0.99740900       2.97223626       6.47005959
H      -1.91623930       2.06517413      -1.03583290
H      -0.70249276       0.20457119       0.15626013
H       0.16895004       1.80244412       7.88950020
Pt      -0.02512287      -0.53189028       3.22424244
C       1.04095969      -1.92324625       4.39456887
C      -1.07942157       2.04130548       4.22816878
H      -0.12557787      -5.74486959       4.61572475
H       2.33861436      -3.59148275       5.89925748
C       1.48514354      -4.11592253       5.43671821
H       0.69561778      -2.29249592       7.19605491
H       1.83415207      -4.57450613       4.49761663
H      -0.60757614      -3.51164151       7.10436787
H      -0.91482981      -1.84773537       6.56707111
C      -1.42347656       3.05154414       5.14018248
C      -1.80767815       2.08676399       0.04801669
N      -0.32154458       0.96192394       4.64845037
C      -1.12341968       1.05112984       0.69542172
C       0.34378580      -3.08282030       5.17572086
H      -2.89743938       3.94183202       0.34033354
C       0.12235581       0.90219650       5.93477480
C      -0.20203701       1.88839594       6.86909352
C      -0.15790430      -2.64435223       6.59087388
H       1.72679962      -2.37044255       3.65679968
N      -0.96318077       1.04159215       2.04281145
H      -1.26896577       3.75347912       7.17984551
H       1.65448798      -1.33040694       5.09662136
C      -1.43158459       2.08683038       2.79925622
C      -2.14691943       3.13670287       2.20255698
C      -1.88627683      -2.89839712       3.86524291
C      -2.98980856      -3.52721250       3.24652471
C      -3.05408354      -4.92180199       3.09551655
C      -2.00585788      -5.71471026       3.57995076
C      -0.91737976      -5.10398449       4.23099332
C      -0.83045658      -3.70724642       4.39312276
H      -3.82390314      -2.91955341       2.89518274
H      -3.91918745      -5.37840270       2.60888403
H      -2.03267907      -6.80086941       3.46727031
H      -2.01266810       3.90493035       4.81349162
H      -2.53367110       3.96068944       2.79725904
C      -1.85431614      -1.39971813       4.02407631
Br       2.31688345       0.62263993       2.55100602
Br       0.12200744      -2.18306572       1.29666929
H      -1.71049811      -1.16546178       5.08579531
H      -5.98758650       1.71375933       2.37440942
H      -4.82193808       0.23146996       0.72887218
C      -3.02672913      -0.59227025       3.53835502
C      -3.69677971       0.24942052       4.45665764
C      -4.75811042       1.07291570       4.04402685
C      -5.16618421       1.07236516       2.70055259
C      -4.51136672       0.23517030       1.77592025
C      -3.45554298      -0.58788190       2.18988176
H      -3.38825446       0.25712312       5.50553681
H      -5.26268022       1.71181133       4.77199107
H      -2.93618664      -1.21223622       1.46050040
#===END
